I have a box of crystal (from another simulation) and a box of solvated protein. Now I want to put the protein close to my crystal.
Payman On Fri, 2009-09-18 at 09:04 +1000, Mark Abraham wrote: > Paymon Pirzadeh wrote: > > Hello, > > Are there any links on how we can merge two simulation boxes to make a > > single configuration? What technicalities should be considered? > > Define "merge". There's a whole pile of issues depending what you mean. > > Why can't you build initial coordinates up from scratch, rather than > "merge" some pre-existing sets? > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
